DPCstruct Metaclusters

⬡ Domain Classification in Structural Space
Properties CATH SCOP

The DPCstruct pipeline applied the Density Peak Clustering (DPC) algorithm to roughly 15 million representative AlphaFold2- predicted structures from the Foldseek Cluster database (a representative set of the AlphaFold Database, AlphaFoldDB v4.0), producing 28,246 structural metaclusters without any manual annotation. Because protein structure is more conserved than sequence over evolutionary time, DPCstruct recovers remote homologs, including proteins sharing a common fold at less than 30% sequence identity, that purely sequence-based methods typically miss.

Use the toggle buttons to switch between the Properties view (intrinsic structural metrics and Pfam annotations), the CATH fold annotations, or the SCOP fold annotations. Click any MCID to open its detail page, where you can explore the sequences and launch the integrated PDBe-Mol* 3D viewer.

CATH Fold MCID DPC Target Q.Range T.Range Q.Cov T.Cov Q.TM-Score T.TM-Score A.TM-Score lDDT pIdent
2.60.370 MC927 A0A7C0VTS9_927 9-125 1-103 0.89 1.0 0.43 0.51 0.51 0.39 8.8
3.30.2110 MC9245 A0A2P5K4P7_9245 2-146 1-156 0.95 1.0 0.92 0.9 0.9 0.86 42.3
1.10.245 MC9233 I3MUQ5_9233 1-86 18-103 1.0 0.72 0.98 0.71 0.71 0.96 82.5
2.60.290 MC9085 K1QDU2_9085 1-92 8-102 1.0 0.93 0.6 0.55 0.55 0.57 15.7
2.170.15 MC9085 A0A2C9KIR6_9085 24-166 14-110 0.86 0.81 0.17 0.21 0.21 0.0 10.4
2.10.310 MC9082 A0A2C9LKP8_9082 1-37 85-120 0.9 0.3 0.41 0.17 0.17 0.8 13.5
4.10.280 MC9081 A0A834F908_9081 1-79 51-129 1.0 0.36 0.96 0.35 0.35 0.97 25.3
3.80.10 MC9071 A0A3R7FXW3_9071 20-159 97-236 0.86 0.59 0.53 0.38 0.38 0.49 18.4
2.70.100 MC9068 W2Q4Z8_9068 12-398 64-538 0.97 0.71 0.3 0.2 0.2 0.0 7.2
3.30.505 MC9052 A0A415Y8D1_9052 6-42 63-102 0.88 0.36 0.62 0.28 0.28 0.7 12.5
Legend
  • Agreement between CATH Folds and DPCstruct Metacluster Domains:
  • CATH Fold: CATH fold identifier.
  • MCID: DPCstruct metacluster identifier.
  • DPC Target: Target DPCstruct protein domain.
  • Q./T.Range: Amino acid coordinate ranges for query and target.
  • Q./T.Cov: Coverage metrics indicating how much of each domain was covered in the alignment.
  • A.TM-Score: Template Modeling score of the structural alignment (0-1).
  • lDDT: Local Distance Difference Test score.
  • pIdent: Percent sequence identity between query and target.